Physical Review E · 2008 · 42 citations · 25 references
Natural SciencesPhysicsComputational Fluid DynamicsComputational PhysicsFluid DynamicsComputational DynamicsMolecular DynamicsStatistical MechanicsAutocorrelation FunctionAutocorrelation Function DecayHard Sphere ModelsHard-sphere ModelLarge-scale DynamicsLong-time BehaviorMode-coupling TheoryNumerical Modeling
Alder and Wainwright discovered the slow power decay ~t(-d/2) (d is dimension) of the velocity autocorrelation function in moderately dense hard-sphere fluids using the event-driven molecular dynamics simulations. In the two-dimensional (2D) case, the diffusion coefficient derived using the time correlation expression in linear response theory shows logarithmic divergence, which is called the "2D long-time-tail problem." We reexamined this problem to perform a large-scale, long-time simulation with 1x10(6) hard disks using a modern efficient algorithm and found that the decay of the long tail in moderately dense fluids is slightly faster than the power decay (~1/t) . We also compared our numerical data with the prediction of the self-consistent mode-coupling theory in the long-time limit [~1/(t sqrt[ln t])] .
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Decay of the Velocity Autocorrelation Function
B. J. Alder, T. E. Wainwright · Physical review. A, General physics · 1970 · 1.4K citations
Asymptotic Time Behavior of Correlation Functions
M. H. Ernst, E. H. Hauge, J. M. J. van Leeuwen · Physical Review Letters · 1970 · 380 citations